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SMILES: Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579984   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50579984
PNG
(CHEMBL5093991 | US11926614, Example 202)
Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(39.73,-24.55,;41.25,-24.71,;41.87,-26.11,;43.39,-26.26,;44.28,-25.03,;43.66,-23.65,;42.15,-23.48,;44.56,-22.42,;44.09,-20.95,;45.33,-20.03,;46.59,-20.95,;48.06,-20.46,;49.43,-21.17,;50.14,-19.8,;48.76,-19.09,;51.61,-19.32,;51.94,-17.81,;50.78,-16.77,;53.41,-17.32,;53.72,-15.81,;55.19,-15.33,;55.5,-13.84,;56.35,-16.36,;56.03,-17.88,;57.17,-18.9,;56.85,-20.41,;55.38,-20.89,;54.23,-19.86,;54.56,-18.35,;46.11,-22.42,;47.01,-23.65,;46.38,-25.04,;47.27,-26.28,;48.79,-26.12,;49.41,-24.71,;48.51,-23.49,;49.12,-22.09,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50579984
PNG
(CHEMBL5093991 | US11926614, Example 202)
Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(39.73,-24.55,;41.25,-24.71,;41.87,-26.11,;43.39,-26.26,;44.28,-25.03,;43.66,-23.65,;42.15,-23.48,;44.56,-22.42,;44.09,-20.95,;45.33,-20.03,;46.59,-20.95,;48.06,-20.46,;49.43,-21.17,;50.14,-19.8,;48.76,-19.09,;51.61,-19.32,;51.94,-17.81,;50.78,-16.77,;53.41,-17.32,;53.72,-15.81,;55.19,-15.33,;55.5,-13.84,;56.35,-16.36,;56.03,-17.88,;57.17,-18.9,;56.85,-20.41,;55.38,-20.89,;54.23,-19.86,;54.56,-18.35,;46.11,-22.42,;47.01,-23.65,;46.38,-25.04,;47.27,-26.28,;48.79,-26.12,;49.41,-24.71,;48.51,-23.49,;49.12,-22.09,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TNKS2 (873 to 1162 residues) incubated for 20 hrs in presence of NAD


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01264
BindingDB Entry DOI: 10.7270/Q21R6VDH
More data for this
Ligand-Target Pair